MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001536
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001536
RECORD_TITLE: PROPYL BENZENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: PROPYL BENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H12
CH$EXACT_MASS: 120.09390
CH$SMILES: CCCc(c1)cccc1
CH$IUPAC: InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3
CH$LINK: INCHIKEY
ODLMAHJVESYWTB-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3042219
AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0006-9100000000-47a24ddaa2a5f5cdc82e
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
27 2.8 28
39 7.45 75
41 3.16 32
50 2.33 23
51 5.78 58
52 1.58 16
62 1.02 10
63 3.4 34
65 11.48 115
77 3.72 37
78 7.34 73
79 1.61 16
89 1.91 19
91 99.99 999
92 11.66 117
103 1.27 13
105 4.18 42
115 1.29 13
120 23.53 235
121 2.28 23
//
system version 2.2.6-SNAPSHOT