MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012210
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012210
RECORD_TITLE: TRANS-2-HEPTENE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: IIDA Y, DAISHIMA S, FAC. OF ENGINEERING, SEIKEI UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: TRANS-2-HEPTENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H14
CH$EXACT_MASS: 98.10955
CH$SMILES: CCCCC=CC
CH$IUPAC: InChI=1S/C7H14/c1-3-5-7-6-4-2/h3,5H,4,6-7H2,1-2H3/b5-3+
CH$LINK: CAS
6443-92-1
CH$LINK: INCHIKEY
OTTZHAVKAVGASB-HWKANZROSA-N
CH$LINK: COMPTOX
DTXSID70881227
AC$INSTRUMENT: FINNIGAN-MAT 4500
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 120 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS METHANE
PK$SPLASH: splash10-0a4j-9000000000-6d5ec42d215af6371f9a
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
55 22.45 225
56 1.02 10
57 99.99 999
58 4.1 41
69 6.42 64
71 10.86 109
83 9.82 98
85 7.08 71
97 54.81 548
98 9.08 91
99 13.02 130
//