MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007128
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007128
RECORD_TITLE: PROPYLBENZENE; 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$NAME: PROPYLBENZENE
CH$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$LINK: CAS
103-65-1
CH$LINK: INCHIKEY
ODLMAHJVESYWTB-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3042219
AC$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: splash10-0006-9100000000-d08eb3639b3ae1a56d8b
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
27 3.05 31
29 1.25 13
39 7.08 71
41 2.22 22
50 2.02 20
51 5.83 58
52 1.32 13
63 3.3 33
65 10.91 109
77 4.02 40
78 6.49 65
79 1.22 12
89 2.1 21
91 99.99 999
92 10.39 104
103 1.02 10
105 2.83 28
120 21.5 215
121 1.82 18
//
system version 2.2.6-SNAPSHOT