MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012208
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012208
RECORD_TITLE: 1-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$NAME: 1-HEPTENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H14
CH$EXACT_MASS: 98.10955
CH$SMILES: CCCCCC=C
CH$IUPAC: InChI=1S/C7H14/c1-3-5-7-6-4-2/h3H,1,4-7H2,2H3
CH$LINK: CAS
592-76-7
CH$LINK: INCHIKEY
ZGEGCLOFRBLKSE-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2060466
AC$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: splash10-0a4i-9000000000-0e452352089077aa373a
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
55 17.55 176
56 3.42 34
57 99.99 999
58 4.23 42
69 5.59 56
70 1.28 13
71 11.09 111
83 12.3 123
85 7.44 74
97 31.6 316
98 5.07 51
99 8.57 86
//