MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001280
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001280
RECORD_TITLE: BENZYL ALCOHOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
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$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-056r-9400000000-77cec715500da9c57a84
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
26 1.19 12
27 6.14 61
28 2.57 26
29 4.01 40
31 3.26 33
37 1.63 16
38 3.26 33
39 12.47 125
40 1.13 11
41 1.13 11
49 1.13 11
50 11.34 113
51 24.69 247
52 6.58 66
53 6.52 65
54 1.19 12
61 1.19 12
62 2.57 26
63 5.64 56
64 1.25 13
65 7.27 73
74 3.07 31
75 2.07 21
76 1.57 16
77 53.88 539
78 10.71 107
79 99.99 999
80 9.09 91
89 6.27 63
90 7.64 76
91 16.73 167
92 2.13 21
105 5.33 53
106 2.51 25
107 62.41 624
108 82.46 825
109 5.95 60
//