MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011500
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011500
RECORD_TITLE: BENZYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: FUJISE Y, HAMAMATSU UNIV. SCHOOL OF MEDICINE
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$LINK: INCHIKEY
QUKGYYKBILRGFE-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0020151
AC$INSTRUMENT: JEOL JMS-DX-300
AC$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$SPLASH: splash10-0006-9200000000-25dd8e6faa7ec0169f6b
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
26 2.56 26
27 7.06 71
28 4.93 49
29 7.82 78
30 1.2 12
31 2.1 21
37 1.26 13
38 5.06 51
39 26.67 267
40 2.03 20
41 4.36 44
42 7.21 72
43 82.86 829
44 3.42 34
45 1.53 15
50 16.04 160
51 39.05 391
52 10.25 103
53 3.83 38
61 1.17 12
62 5.32 53
63 16.04 160
64 4.59 46
65 31.15 312
66 1.95 20
74 3.26 33
75 2.65 27
76 3.53 35
77 49.86 499
78 12.37 124
79 44.88 449
80 4.71 47
89 18.72 187
90 40.69 407
91 89.67 897
92 7.55 76
105 9.61 96
106 1.54 15
107 23.8 238
108 99.99 999
109 7.61 76
150 39.12 391
151 4.33 43
//
system version 2.2.6-SNAPSHOT