MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006286
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006286
RECORD_TITLE: BUTYROPHENONE; 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$NAME: BUTYROPHENONE
CH$NAME: PHENYL N-PROPYL KETONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H12O
CH$EXACT_MASS: 148.08882
CH$SMILES: CCCC(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C10H12O/c1-2-6-10(11)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3
CH$LINK: CAS
495-40-9
CH$LINK: INCHIKEY
FFSAXUULYPJSKH-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3047059
AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 35 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0a6r-8900000000-5ba81f3a023b4c52f97a
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
28 12.45 125
39 3.97 40
41 7.73 77
43 24.34 243
65 3.2 32
76 2.82 28
77 51.39 514
79 4.03 40
105 99.99 999
106 6.41 64
148 9.82 98
//
system version 2.2.6-SNAPSHOT