MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004609
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004609
RECORD_TITLE: METHYL (9Z,15Z)-12,13-DIHYDROXYOCTADECADIENOATE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KATO T, DEPT. OF CHEM., FAC. OF SCI., TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: METHYL (9Z,15Z)-12,13-DIHYDROXYOCTADECADIENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H34O4
CH$EXACT_MASS: 326.24571
CH$SMILES: CCC=CCC(O)C(O)CC=CCCCCCCCC(=O)OC
CH$IUPAC: InChI=1S/C19H34O4/c1-3-4-11-14-17(20)18(21)15-12-9-7-5-6-8-10-13-16-19(22)23-2/h4,9,11-12,17-18,20-21H,3,5-8,10,13-16H2,1-2H3/b11-4-,12-9-
CH$LINK: INCHIKEY
KXVOHHSKVDULRX-UZXKCJFBSA-N
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE
PK$SPLASH: splash10-004i-0019000000-4a22a1f7b550a3f8b7c6
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
155 1.2 12
198 1 10
199 0.7 7
227 0.21 2
239 0.6 6
257 4.1 41
258 0.7 7
265 0.08 1
277 1.9 19
291 9.8 98
292 2.3 23
307 0.07 1
309 15.3 153
310 3.2 32
311 0.6 6
323 0.23 2
324 0.5 5
325 2 20
326 0.7 7
327 99.99 999
328 22.4 224
329 4.6 46
//
system version 2.2.8-SNAPSHOT