MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000044
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000044
RECORD_TITLE: META TOLUIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: META TOLUIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H8O2
CH$EXACT_MASS: 136.05243
CH$SMILES: Cc(c1)cc(cc1)C(O)=O
CH$IUPAC: InChI=1S/C8H8O2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H,9,10)
CH$LINK: COMPTOX
DTXSID1021617
CH$LINK: INCHIKEY
GPSDUZXPYCFOSQ-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:7418
AC$INSTRUMENT: HITACHI RMU-7M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0006-9300000000-19cda220bb49ced38298
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
27 1.99 20
38 1.81 18
39 14.04 140
41 4.16 42
43 2.72 27
45 1.81 18
50 3.62 36
51 5.43 54
62 2.99 30
63 8.61 86
65 20.38 204
77 4.53 45
79 1.81 18
89 6.34 63
90 5.89 59
91 99.99 999
92 16.76 168
118 1.02 10
119 27.9 279
120 1.81 18
135 2.08 21
136 43.57 436
137 3.44 34
//