MassBank Record: MSBNK-Keio_Univ-KO001402
ACCESSION: MSBNK-Keio_Univ-KO001402
RECORD_TITLE: Myristoleic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]-
DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID M044
CH$NAME: Myristoleate
CH$NAME: (Z)-Tetradec-9-enoic acid
CH$NAME: 9-Tetradecenoic acid
CH$NAME: (9Z)-Tetradecenoic acid
CH$NAME: Myristoleic acid
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H26O2
CH$EXACT_MASS: 226.19328
CH$SMILES: CCCCC=CCCCCCCCC(O)=O
CH$IUPAC: InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h5-6H,2-4,7-13H2,1H3,(H,15,16)/b6-5-
CH$LINK: CAS
544-64-9
CH$LINK: KEGG
C08322
CH$LINK: NIKKAJI
J11.362J
CH$LINK: PUBCHEM
SID:10520
CH$LINK: INCHIKEY
YWWVWXASSLXJHU-WAYWQWQTSA-N
CH$LINK: COMPTOX
DTXSID5041568
AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 225
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0a4i-9120000000-50121015a2477be41bec
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
44.100 44554.5 105
44.400 34653.5 81
54.000 14851.5 35
57.300 14851.5 35
59.200 425743.0 999
66.600 14851.5 35
68.800 14851.5 35
81.000 74257.5 174
108.400 54455.5 128
110.100 44554.5 105
142.900 14851.5 35
225.200 143564.5 337
//