MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001317
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001317
RECORD_TITLE: PHENOL; 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$NAME: PHENOL
CH$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$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-00kf-9000000000-6fb456992902a13931f9
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
27 2.62 26
37 3.26 33
38 7.16 72
39 24.93 249
40 14.22 142
47 2.08 21
50 5.25 53
51 5.03 50
53 2.73 27
55 8.37 84
61 1.86 19
62 2.9 29
63 5.96 60
64 2.08 21
65 26.24 262
66 37.67 377
67 2.08 21
68 1 10
74 1.69 17
93 1.64 16
94 99.99 999
95 6.07 61
//
system version 2.2.8-SNAPSHOT