MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001515
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001515
RECORD_TITLE: BENZYL ALCOHOL; 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$NAME: BENZYL ALCOHOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H8O
CH$EXACT_MASS: 108.05751
CH$SMILES: OCc(c1)cccc1
CH$IUPAC: InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2
CH$LINK: INCHIKEY
WVDDGKGOMKODPV-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5020152
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$SPLASH: splash10-056r-9400000000-f70e9531a9225476a41e
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
26 2.1 21
27 8.55 86
28 1.15 12
29 5.21 52
31 3.94 39
37 2.32 23
38 4.81 48
39 14.59 146
40 1.53 15
41 1.83 18
43 1.23 12
44 1.18 12
49 1.66 17
50 13.59 136
51 27.76 278
52 8.12 81
53 7.35 74
53.5 2.73 27
54 2.08 21
55 1.15 12
61 1.5 15
62 3.25 33
63 6.97 70
64 1.86 19
65 7.95 80
66 1.01 10
73 1.12 11
74 3.99 40
75 2.65 27
76 2.32 23
77 51.45 515
78 12.16 122
79 99.99 999
80 10.85 109
89 6.42 64
90 9.04 90
91 16.86 169
92 1.75 18
105 4.12 41
106 1.15 12
107 64.08 641
108 83.32 833
109 6.56 66
//
system version 2.2.6-SNAPSHOT