MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012202
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012202
RECORD_TITLE: CIS-3-HEXENE; 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$NAME: CIS-3-HEXENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H12
CH$EXACT_MASS: 84.09390
CH$SMILES: CCC=CCC
CH$IUPAC: InChI=1S/C6H12/c1-3-5-6-4-2/h5-6H,3-4H2,1-2H3/b6-5+
CH$LINK: CAS
13269-52-8
CH$LINK: INCHIKEY
ZQDPJFUHLCOCRG-AATRIKPKSA-N
CH$LINK: COMPTOX
DTXSID70891265
AC$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: splash10-0019-9000000000-9fd13b019bf1c7e9143b
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
55 5.64 56
56 1.6 16
57 41.87 419
58 1.87 19
69 48.37 484
70 3.2 32
71 33.42 334
72 1.87 19
83 66.48 665
84 16.83 168
85 99.99 999
86 6.4 64
97 1.62 16
//