MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010379
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010379
RECORD_TITLE: META-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$NAME: META-TOLYLACETIC ACID
CH$NAME: META-METHYLPHENYLACETIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H10O2
CH$EXACT_MASS: 150.06808
CH$SMILES: OC(=O)Cc(c1)cc(C)cc1
CH$IUPAC: InChI=1S/C9H10O2/c1-7-3-2-4-8(5-7)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
CH$LINK: INCHIKEY
GJMPSRSMBJLKKB-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID30211147
AC$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-3900000000-6b850d428cd107b5a318
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
41 1.9 19
42 1.5 15
43 7.7 77
44 0.16 2
45 2 20
55 3.7 37
56 3.3 33
57 0.48 5
58 4 40
59 1.6 16
60 3.8 38
69 0.27 3
70 2.7 27
71 3.2 32
73 1.6 16
77 0.51 5
78 1.6 16
79 7 70
83 1.6 16
85 0.17 2
91 16.6 166
92 1.3 13
103 3.5 35
104 0.4 4
105 99.99 999
106 15.6 156
107 1.6 16
149 0.21 2
150 52 520
151 6.4 64
//