MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000067
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000067
RECORD_TITLE: METHYL PARA HYDROXY BENZOATE; 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$NAME: METHYL PARA HYDROXY BENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H8O3
CH$EXACT_MASS: 152.04734
CH$SMILES: COC(=O)c(c1)ccc(O)c1
CH$IUPAC: InChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3
CH$LINK: INCHIKEY
LXCFILQKKLGQFO-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4022529
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$SPLASH: splash10-00di-4900000000-5aa5692082b66b714b5d
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
15 2.4 24
38 1.55 16
39 9.82 98
53 1.55 16
63 2.69 27
64 1.7 17
65 16.25 163
66 1.13 11
77 1.2 12
92 1.2 12
93 26.08 261
94 1.77 18
121 99.99 999
122 8.34 83
151 1.55 16
152 31.38 314
153 2.61 26
//