MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002194
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002194
RECORD_TITLE: 4-METHYLBENZOIC ACID METHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA
CH$NAME: 4-METHYLBENZOIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H10O2
CH$EXACT_MASS: 150.06808
CH$SMILES: COC(=O)c(c1)ccc(C)c1
CH$IUPAC: InChI=1S/C9H10O2/c1-7-3-5-8(6-4-7)9(10)11-2/h3-6H,1-2H3
CH$LINK: INCHIKEY
QSSJZLPUHJDYKF-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4025668
AC$INSTRUMENT: JEOL JMS-01-SG
AC$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$SPLASH: splash10-014i-5900000000-9a63e568df5efb37c37f
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
44 1.6 16
45 2.2 22
50 0.9 9
51 0.29 3
53 1.6 16
59 4.5 45
61 1.3 13
62 0.09 1
63 4.5 45
65 15.7 157
74 2.2 22
89 0.39 4
90 3.6 36
91 41.6 416
92 2.2 22
106 0.16 2
107 0.6 6
110 0.9 9
118 0.9 9
119 99.99 999
120 8.8 88
133 1.3 13
135 0.9 9
149 0.13 1
150 30.1 301
151 2.6 26
152 0.6 6
//