MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012203
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012203
RECORD_TITLE: TRANS-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$NAME: TRANS-3-HEXENE
CH$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$LINK: CAS
7642-09-3
CH$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: splash10-001r-9000000000-a158b7d3153313515526
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
55 4.51 45
57 36.25 363
58 1.48 15
69 47.24 472
70 1.43 14
71 28.68 287
72 1.54 15
83 89.97 900
84 18.37 184
85 99.99 999
86 6.38 64
97 1.73 17
//