MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004013
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004013
RECORD_TITLE: PHENOL; 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$NAME: PHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H6O
CH$EXACT_MASS: 94.04186
CH$SMILES: Oc(c1)cccc1
CH$IUPAC: InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H
CH$LINK: INCHIKEY
ISWSIDIOOBJBQZ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5021124
AC$INSTRUMENT: HITACHI RMU-6L
AC$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$SPLASH: splash10-0006-9000000000-89b0c430b8924ee2afde
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
39 53 530
40 21 210
41 1.1 11
42 0.18 2
43 1.1 11
46 1.4 14
47 8 80
49 0.24 2
50 10.5 105
51 10 100
52 2 20
53 0.64 6
54 1.3 13
55 15.3 153
61 5.1 51
62 0.7 7
63 10.9 109
64 3.5 35
65 39 390
66 4.6 46
67 3.1 31
68 2.2 22
73 1 10
74 0.3 3
75 1.6 16
76 1.5 15
77 1.3 13
79 0.18 2
93 2.3 23
94 99.99 999
95 10.1 101
//
system version 2.2.8-SNAPSHOT