MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005315
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005315
RECORD_TITLE: METHYL PHENYLACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: METHYL PHENYLACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H10O2
CH$EXACT_MASS: 150.06808
CH$SMILES: COC(=O)Cc(c1)cccc1
CH$IUPAC: InChI=1S/C9H10O2/c1-11-9(10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
CH$LINK: INCHIKEY
CRZQGDNQQAALAY-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1044352
AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0006-9200000000-eeeabb5445489ab0953b
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
15 4.77 48
38 1.34 13
39 7.57 76
41 2.07 21
45 1.55 16
50 1.86 19
51 3.39 34
52 1.04 10
59 6.94 69
62 1.55 16
63 4.87 49
64 1.45 15
65 12.44 124
77 1.14 11
89 4.04 40
90 2.8 28
91 99.99 999
92 7.67 77
105 1.24 12
118 1.24 12
119 2.49 25
150 31.42 314
151 3.11 31
//