MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004946
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004946
RECORD_TITLE: BENZYL ACETATE; 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$NAME: BENZYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H10O2
CH$EXACT_MASS: 150.06808
CH$SMILES: CC(=O)OCc(c1)cccc1
CH$IUPAC: InChI=1S/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3
CH$LINK: CAS
140-11-4
CH$LINK: INCHIKEY
QUKGYYKBILRGFE-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0020151
AC$INSTRUMENT: JEOL JMS-D-3000
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: splash10-052f-9500000000-841f27b9e65e2ce89c1a
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
42 3.51 35
43 47.7 477
44 3.2 32
45 1.29 13
50 4.38 44
51 11.24 112
52 2.47 25
53 1.02 10
62 1.36 14
63 4.88 49
64 1.58 16
65 11.59 116
74 1.23 12
77 15.47 155
78 4.05 41
79 23.19 232
80 2.29 23
89 10.82 108
90 43.13 431
91 49.95 500
92 4 40
105 5.68 57
106 3.21 32
107 17.13 171
108 99.99 999
109 8.13 81
150 24.81 248
151 2.72 27
//
system version 2.2.6-SNAPSHOT