MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000047
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000047
RECORD_TITLE: METHYL PARA TOLUATE; 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$NAME: METHYL PARA TOLUATE
CH$NAME: PARA TOLUIC 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: 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: splash10-014i-5900000000-c3eb93cfbb7c8782e76a
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
15 1.6 16
39 7.86 79
41 1.33 13
50 1.83 18
51 2.93 29
62 1.46 15
63 5.85 59
65 18.02 180
89 4.39 44
90 2.24 22
91 35.53 355
92 1.87 19
119 99.99 999
120 8.18 82
150 18.2 182
151 1.19 12
//