MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009212
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009212
RECORD_TITLE: PHENOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
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$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0006-9000000000-db80d8b605e20595c679
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
26 1.38 14
27 2.26 23
29 1.58 16
37 2.55 26
38 4.85 49
39 17.95 180
40 7.84 78
47 2.55 26
50 3.94 39
51 3.89 39
53 2.37 24
55 6.01 60
61 1.69 17
62 2.6 26
63 4.72 47
64 1.95 20
65 19.92 199
66 27.46 275
67 1.55 16
68 1.06 11
74 1.48 15
93 1.69 17
94 99.99 999
95 5.76 58
//