MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006260
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006260
RECORD_TITLE: BENZYL ALCOHOL; 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$NAME: BENZYL ALCOHOL
CH$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$LINK: CAS
100-51-6
CH$LINK: INCHIKEY
WVDDGKGOMKODPV-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5020152
AC$INSTRUMENT: HITACHI M-80
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-9400000000-7a77e67486ae3b2dd855
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
26 2.15 22
27 7.7 77
28 2.31 23
29 6.94 69
30 0.88 9
31 5.64 56
37 2.29 23
38 4.89 49
39 14.53 145
40 1.19 12
41 1.11 11
49 1.59 16
50 14.14 141
51 27.66 277
52 7.52 75
53 6.29 63
54 0.99 10
55 0.97 10
61 1.7 17
62 3.85 39
63 8.02 80
64 1.73 17
65 7.39 74
66 0.78 8
73 0.98 10
74 4.45 45
75 2.56 26
76 2.17 22
77 53.62 536
78 12.99 130
79 99.99 999
80 10.62 106
81 0.97 10
89 6.76 68
90 7.81 78
91 17.53 175
92 1.49 15
105 5.37 54
106 2.4 24
107 63.38 634
108 88.51 885
109 7.01 70
//