MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004664
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004664
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$LINK: CAS
108-95-2
CH$LINK: INCHIKEY
ISWSIDIOOBJBQZ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5021124
AC$INSTRUMENT: JEOL JMS-D-3000
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-fc01d0ad6740cfd70e13
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
43 8.26 83
47 4.62 46
55 7.03 70
65 15.55 156
66 15.93 159
94 99.99 999
95 6.57 66
//
system version 2.2.8-SNAPSHOT