ACCESSION: MSBNK-Keio_Univ-KO001630
RECORD_TITLE: Palmitoleic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]-
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID P044

CH$NAME: Palmitoleate
CH$NAME: (9Z)-Hexadecenoic acid
CH$NAME: cis-9-Hexadecenoic acid
CH$NAME: Palmitoleic acid
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₃₀O₂
CH$EXACT_MASS: 254.22458
CH$SMILES: CCCCCCC=CCCCCCCCC(O)=O
CH$IUPAC: InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7-
CH$LINK: CAS 373-49-9
CH$LINK: CHEBI 28716
CH$LINK: CHEMPDB PAM
CH$LINK: KEGG C08362
CH$LINK: NIKKAJI J12.503B
CH$LINK: PUBCHEM SID:10558
CH$LINK: INCHIKEY SECPZKHBENQXJG-FPLPWBNLSA-N
CH$LINK: COMPTOX DTXSID0041197

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 50 V

MS$FOCUSED_ION: PRECURSOR_M/Z 253
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-004j-9000000000-fb5a2e21c48a7d72aac8
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  45.200 49505.0 526
  70.700 39604.0 421
  79.000 94059.5 999
  97.000 24752.5 263
//