MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010378
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010378
RECORD_TITLE: ORTHO-TOLYLACETIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: ORTHO-TOLYLACETIC ACID
CH$NAME: ORTHO-METHYLPHENYLACETIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H10O2
CH$EXACT_MASS: 150.06808
CH$SMILES: OC(=O)Cc(c1)c(C)ccc1
CH$IUPAC: InChI=1S/C9H10O2/c1-7-4-2-3-5-8(7)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
CH$LINK: INCHIKEY
RZWGTXHSYZGXKF-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID50214650
AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0a4i-1900000000-8c5a859cece90bea65d0
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
41 1.1 11
43 3.5 35
45 1.4 14
55 0.15 2
56 1.5 15
57 2.5 25
58 1.5 15
60 0.16 2
69 1.4 14
70 1 10
71 1.5 15
77 0.49 5
78 1.4 14
79 7.7 77
85 1 10
91 1.46 15
92 1.1 11
103 3.7 37
104 4 40
105 99.99 999
106 11.2 112
132 2.1 21
149 2.4 24
150 4.9 49
151 5.5 55
//