MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006562
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006562
RECORD_TITLE: BENZYL ALCOHOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: BENZYL ALCOHOL
CH$NAME: PHENYLMETHANOL
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 M-80B
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-dd0878988e7c2d9a5431
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
26 1.41 14
27 6.11 61
29 5.04 50
31 3.6 36
37 1.67 17
38 3.41 34
39 12.11 121
49 1.29 13
50 14.23 142
51 26.12 261
52 7.46 75
53 5.5 55
54 1 10
61 1.3 13
62 2.77 28
63 6.88 69
64 1.55 16
65 7.4 74
74 3.45 35
75 2.25 23
76 1.6 16
77 56.72 567
78 12.43 124
79 99.99 999
80 10.1 101
89 6.21 62
90 8.2 82
91 16.19 162
92 1.04 10
105 3.29 33
107 66.2 662
108 94.91 949
109 7.36 74
//
system version 2.2.6-SNAPSHOT