MassBank Record: MSBNK-Keio_Univ-KO001401
ACCESSION: MSBNK-Keio_Univ-KO001401
RECORD_TITLE: Myristoleic acid; LC-ESI-QQ; MS2; CE:30 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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 225
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-004i-0090000000-4fcda40660e1f5947eb6
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
45.300 94059.5 2
59.000 569307.5 15
69.000 29703.0 1
70.800 44554.5 1
80.600 34653.5 1
82.600 49505.0 1
83.300 64356.5 2
93.000 39604.0 1
94.900 103960.5 3
96.800 89109.0 2
107.700 29703.0 1
108.400 24752.5 1
110.100 54455.5 1
111.500 113861.5 3
112.800 14851.5 1
123.000 39604.0 1
124.800 24752.5 1
127.200 69307.0 2
137.100 257426.0 7
140.700 19802.0 1
143.100 267327.0 7
149.100 103960.5 3
153.200 24752.5 1
154.400 24752.5 1
162.700 29703.0 1
165.200 49505.0 1
171.100 138614.0 4
179.600 34653.5 1
181.100 29703.0 1
182.400 19802.0 1
188.900 19802.0 1
207.500 188119.0 5
225.300 37905978.5 999
//