ピーク情報
|
リーフレタスグリーン
pos
|
| Peak #12235 MN MID: SE198_S12_M90 |
| m/z: 295.22693, RT: 91.24, 強度: 14887, ログ強度: 0.68, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 9 |
| DB検索結果: (62 names) 9S,10-epoxy-10,12Z-octadecadienoic acid;9,10-epoxy-3E,12Z-Octadecadienoic acid;5-pentyl-2-furannonanoic acid;9-Hydroxy-3,10,12-octadecatrienoic acid;5-butyl-2-furandecanoic acid;10-Oxo-11-octadecen-13... |
| DBごとのヒット数: ALL 61 KG 11 KN 6 HM 6 LM 38 |
| FlavonoidSearch最大スコア MS2: -, MS3: - |
|
安定同位体ラベル実験で見積もられた原子数:
N: 0
S: 0
|
DB検索結果
ppm
| 組成式 | 分子量 | 誤差(Δppm） | 候補化合物名（代表で最短名を記載） | 化合物ID |
|---|---|---|---|---|
| C18H30O3 | 294.21949 | 0.524 | 9S,10-epoxy-10,12Z-octadecadienoic acid | LipidMAPS: LMFA02000015 |
| C18H30O3 | 294.21949 | 0.524 | 9,10-epoxy-3E,12Z-Octadecadienoic acid | LipidMAPS: LMFA02000306 |
| C18H30O3 | 294.21949 | 0.524 | 5-pentyl-2-furannonanoic acid | HMDB: HMDB0112102 LipidMAPS: LMFA01150042 |
| C18H30O3 | 294.21949 | 0.524 | 9-Hydroxy-3,10,12-octadecatrienoic acid | LipidMAPS: LMFA02000312 |
| C18H30O3 | 294.21949 | 0.524 | 10-Oxo-11-octadecen-13-olide | HMDB: HMDB0029786 |
| C18H30O3 | 294.21949 | 0.524 | 5-butyl-2-furandecanoic acid | LipidMAPS: LMFA01150043 |
| C18H30O3 | 294.21949 | 0.524 | 2(R)-HOT | HMDB: HMDB0031103 KEGG: C16342 LipidMAPS: LMFA02000033, LMFA02000183 |
| C18H30O3 | 294.21949 | 0.524 | 4-oxo-2E,9E-octadecadienoic acid | LipidMAPS: LMFA02000369 |
| C18H30O3 | 294.21949 | 0.524 | 11-oxo-(7E,9E)-octdecadienoic acid | LipidMAPS: LMFA01060226 |
| C18H30O3 | 294.21949 | 0.524 | 8-(3-methyl-5-pentylfuran-2-yl)octanoic acid | LipidMAPS: LMFA01150058 |
| C18H30O3 | 294.21949 | 0.524 | Pseudopyronine B | KNApSAcK: C00015217 |
| C18H30O3 | 294.21949 | 0.524 | 1-O-(12-methyl-1Z,5Z-tetradecadien-3-ynyl)-sn-glycerol | LipidMAPS: LMGL01030003 |
| C18H30O3 | 294.21949 | 0.524 | Colneleate | HMDB: HMDB0030995 KEGG: C19827 KNApSAcK: C00000449 LipidMAPS: LMFA10000001 |
| C18H30O3 | 294.21949 | 0.524 | 13-OxoODE | HMDB: HMDB0004668, HMDB0246143 KEGG: C14765 LipidMAPS: LMFA02000016, LMFA02000252 |
| C18H30O3 | 294.21949 | 0.524 | Squamostanal A | HMDB: HMDB0029969 |
| C18H30O3 | 294.21949 | 0.524 | 12(13)-epoxy-6Z,9Z-octadecadienoic acid | HMDB: HMDB0062288 LipidMAPS: LMFA02000044, LMFA02000321, LMFA02000322 |
| C18H30O3 | 294.21949 | 0.524 | 9(S)-HOT | HMDB: HMDB0031934, HMDB0247705 KEGG: C16326 KNApSAcK: C00000386, C00048303 LipidMAPS: LMFA02000024 |
| C18H30O3 | 294.21949 | 0.524 | 3-Oxo-2-(2-entenyl)cyclopentaneoctanoic acid | HMDB: HMDB0301805, [-1]HMDB0304145 KEGG: C04780, C22503 KNApSAcK: C00000366 LipidMAPS: LMFA02010006, LMFA02010007 |
| C18H30O3 | 294.21949 | 0.524 | 8-hydroxy-11E-octadecen-9-ynoic acid | LipidMAPS: LMFA01050307, LMFA02000215 |
| C18H30O3 | 294.21949 | 0.524 | (9Z,12Z,14E)-16-Hydroxy-9,12,14-octadecatrienoic acid | HMDB: HMDB0034586 |
| C18H30O3 | 294.21949 | 0.524 | 13-(1-Cyclopentenyl)-3-oxo-tridecanoic acid | LipidMAPS: LMFA01140048 |
| C18H30O3 | 294.21949 | 0.524 | (9R,13R)-2-oxo-5-pentyl-3-cyclopentene-1-octanoic acid | LipidMAPS: LMFA02010002, LMFA02010003 |
| C18H30O3 | 294.21949 | 0.524 | 11-Keto-9Z,12Z-octadecadienoic acid | KNApSAcK: C00000432 |
| C18H30O3 | 294.21949 | 0.524 | 1-O-(pentadeca-1Z,5Z-dien-3-ynyl)-sn-glycerol | LipidMAPS: LMGL01030012 |
| C18H30O3 | 294.21949 | 0.524 | 12-oxo-8E,10E-octadecadienoic acid | LipidMAPS: LMFA01031164 |
| C18H30O3 | 294.21949 | 0.524 | 18-hydroxy-9Z,11E,13E-octadecatrienoic acid | LipidMAPS: LMFA02000156, LMFA02000157 |
| C18H30O3 | 294.21949 | 0.524 | 5-oxo-6E,8E-octadecadienoic acid | LipidMAPS: LMFA01031165, LMFA02000395 |
| C18H30O3 | 294.21949 | 0.524 | 4-oxo-2E,17-octadecadienoic acid | LipidMAPS: LMFA02000368 |
| C18H30O3 | 294.21949 | 0.524 | 3,4-Dimethyl-5-propyl-2-furannonanoic acid | HMDB: HMDB0061644 LipidMAPS: LMFA01150009 |
| C18H30O3 | 294.21949 | 0.524 | 12-oxo-9-octadecynoic acid | LipidMAPS: LMFA02000272 |
| C18H30O3 | 294.21949 | 0.524 | 3,4-Dimethyl-5-pentyl-2-furanheptanoic acid | HMDB: HMDB0039603 LipidMAPS: LMFA01150027 |
| C18H30O3 | 294.21949 | 0.524 | (9Z)-(13S)-12,13-Epoxyoctadeca-9,11-dienoic acid | HMDB: [-1]HMDB0303983 KEGG: C04594 LipidMAPS: LMFA02000281 |
| C18H30O3 | 294.21949 | 0.524 | N-(9-oxo-10Z,12Z)-octadecadienoic acid | LipidMAPS: LMFA01060231 |
| C18H30O3 | 294.21949 | 0.524 | 1-O-(13-methyl-tetradeca-1Z,5Z-dien-3-ynyl)-sn-glycerol | LipidMAPS: LMGL01030014 |
| C18H30O3 | 294.21949 | 0.524 | 17-Hydroxylinolenic acid | HMDB: HMDB0011108 KEGG: C16346 |
| C18H30O3 | 294.21949 | 0.524 | 13S-hydroxy-6Z,9Z,11E-octadecatrienoic acid | LipidMAPS: LMFA02000173 |
| C18H30O3 | 294.21949 | 0.524 | 9(10)-epoxy-6Z,12Z-octadecadienoic acid | LipidMAPS: LMFA02000043 |
| C18H30O3 | 294.21949 | 0.524 | 6(7)-epoxy-9Z,12Z-octadecadienoic acid | LipidMAPS: LMFA02000042 |
| C18H30O3 | 294.21949 | 0.524 | 13(S)-HOT | HMDB: HMDB0010203, HMDB0244523 KEGG: C16316 LipidMAPS: LMFA02000029, LMFA02000051 |
| C18H30O3 | 294.21949 | 0.524 | 13S-hydroxy-11E-octadec-9-ynoic acid | LipidMAPS: LMFA02000358 |
| C18H30O3 | 294.21949 | 0.524 | (1R,2R)-4-oxo-5-pentyl-2-cyclopentene-1-octanoic acid | LipidMAPS: LMFA02010004, LMFA02010005 |
| C18H30O3 | 294.21949 | 0.524 | 9,10-Epoxy-octadec-12-ynoic acid | LipidMAPS: LMFA01070028, LMFA01070036 |
| C18H30O3 | 294.21949 | 0.524 | 8R-hydroxy-9Z,12Z-octadecadien-5S-olide | LipidMAPS: LMFA07040139 |
| C18H30O3 | 294.21949 | 0.524 | 17-hydroxy-6Z,9Z,12Z-octadecatrienoic acid | LipidMAPS: LMFA02000239 |
| C18H30O3 | 294.21949 | 0.524 | 15(16)-EpODE | HMDB: HMDB0010206, HMDB0030950 LipidMAPS: LMFA02000041, LMFA02000305 |
| C18H30O3 | 294.21949 | 0.524 | 2-{2-[4-(1,1,3,3-Tetramethylbutyl)phenoxy]ethoxy}ethanol | HMDB: HMDB0245640 |
| C18H30O3 | 294.21949 | 0.524 | 9-OxoODE | HMDB: HMDB0004669, HMDB0247609 KEGG: C14766 LipidMAPS: LMFA02000251, LMFA02000274 |
| C18H30O3 | 294.21949 | 0.524 | 8-(5-hexyl-furan-2-yl)-octanoic acid | HMDB: HMDB0112099 KEGG: C13798 LipidMAPS: LMFA01150001 |
| C18H30O3 | 294.21949 | 0.524 | 5-Butyl-3-methyl-2-furannonanoic acid | HMDB: HMDB0112103 |
| C18H30O3 | 294.21949 | 0.524 | 9-HOTE | HMDB: HMDB0010224 |
| C18H30O3 | 294.21949 | 0.524 | Helenynolic acid | KNApSAcK: C00047245 LipidMAPS: LMFA01031025, LMFA02000216 |
| C18H30O3 | 294.21949 | 0.524 | Sterebin D | HMDB: HMDB0036832 KNApSAcK: C00023381 |
| C18H30O3 | 294.21949 | 0.524 | 9(10)-EpODE | HMDB: HMDB0010220 LipidMAPS: LMFA02000039 |
| C18H30O3 | 294.21949 | 0.524 | (11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid | KNApSAcK: C00000435 |
| C18H30O3 | 294.21949 | 0.524 | Hygrophorone F12 | KNApSAcK: C00050794, C00050795 |
| C18H30O3 | 294.21949 | 0.524 | 4-oxo-2E,11Z-octadecadienoic acid | LipidMAPS: LMFA02000367 |
| C18H30O3 | 294.21949 | 0.524 | 13-Hydroxy-3E,9Z,11E-octadecatrienoic acid | LipidMAPS: LMFA02000301 |
| C18H30O3 | 294.21949 | 0.524 | A-12(13)-EpODE | HMDB: HMDB0010200, HMDB0031088 LipidMAPS: LMFA02000040 |
| C18H30O3 | 294.21949 | 0.524 | (9Z,11E)-12-[(1E)-Hex-1-en-1-yloxy]dodeca-9,11-dienoic acid | KEGG: C22918 LipidMAPS: LMFA10000008, LMFA10000010 |
| C18H30O3 | 294.21949 | 0.524 | Juvenile hormone I | KEGG: C19613 |
| C18H30O3 | 294.21949 | 0.524 | 5-Heptyl-2-furanheptanoic acid | HMDB: HMDB0112093 LipidMAPS: LMFA01150041 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 295.22687 |
| Splash: splash10-004i-0090000000-7b9fef23acdbe90f6217 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 277.18 | 14560 | 18 | 1000 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Auronol (2-OMe)]-A(1([2,3:@@]-Furano))-B(none) | Auronol | Castillene A |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(1OMe, 1Oxo, 1([2,3:@@]-Furano))-B(none) | beta-Hydroxy(or Oxodihydro)chalcone | Pongamol |
| 0.000 | [Flavanone]-A(1OMe, 1([2,3:@@]-Furano))-B(none) | Flavanone | 6-Methoxy-[2'',3'':7,8]furanoflavanone |
| 0.000 | [Dihydroflavonol (3-OMe)]-A(1([2,3:@@]-Furano))-B(none) | Dihydroflavonol | 3-Methoxy-[2'',3'':7,8]furanoflavanone |
| 0.000 | [2-substituted Isoflavone (2-Methyl)]-A(1OH, 1Acetyl)-B(none) | 2-substituted Isoflavone | Glyzarin |
| 0.000 | [Pterocarpan]-A(1([2,3:@@]-Furano))-B(1OMe) | Pterocarpan | 9-O-Methylneodunol |
| Level: 3, プリカーサーm/z: 277.17853 |
| Splash: splash10-0cdl-0970000000-5910277b33862c8bd87e |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 259.19 | 364 | 18 | 1000 |
| 241.25 | 267 | 36 | 732 |
| 165.11 | 267 | 112 | 732 |
| 179.16 | 210 | 98 | 576 |
| 231.12 | 162 | 46 | 443 |
| 149.04 | 144 | 128 | 394 |
| 161.08 | 137 | 116 | 375 |
| 207.13 | 120 | 70 | 329 |
| 163.11 | 119 | 114 | 327 |
| 221.12 | 111 | 56 | 306 |
| 217.18 | 110 | 60 | 301 |
| 135.06 | 109 | 142 | 299 |
| 147.00 | 95 | 130 | 261 |
| 235.20 | 83 | 42 | 227 |
| 175.17 | 79 | 102 | 216 |
| 173.11 | 70 | 104 | 191 |
| 121.04 | 64 | 156 | 175 |
| 185.04 | 64 | 92 | 175 |
| 130.97 | 62 | 146 | 170 |
| 199.14 | 59 | 78 | 161 |
FlavonoidSearch結果
ヒットなし