MassBank Record: KO001943



 Tropic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001943
RECORD_TITLE: Tropic acid; LC-ESI-QQ; MS2; CE:10 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 T059

CH$NAME: Tropate CH$NAME: Tropic acid CH$NAME: alpha-(Hydroxymethyl)phenylacetic acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H10O3 CH$EXACT_MASS: 166.06299 CH$SMILES: OCC(C(O)=O)c(c1)cccc1 CH$IUPAC: InChI=1S/C9H10O3/c10-6-8(9(11)12)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12) CH$LINK: CAS 529-64-6 552-63-6 CH$LINK: CHEBI 30765 CH$LINK: KEGG C01456 CH$LINK: PUBCHEM SID:4633
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 165 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-014i-0900000000-0707a13c8d1b580bfed2 PK$NUM_PEAK: 8 PK$PEAK: m/z int. rel.int. 59.200 247525.0 33 97.100 341584.5 45 100.700 89109.0 12 103.300 2049507.0 273 121.300 3712875.0 494 135.100 886139.5 118 147.200 34653.5 5 165.300 7504958.0 999 //