MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002348
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002348
RECORD_TITLE: HEXANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: HEXANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H14
CH$EXACT_MASS: 86.10955
CH$SMILES: CCCCCC
CH$IUPAC: InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3
CH$LINK: INCHIKEY
VLKZOEOYAKHREP-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0021917
AC$INSTRUMENT: JEOL JMS-D-3000
AC$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$SPLASH: splash10-0a4l-9000000000-8ab77db137ff0d1e75f0
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
40 44.96 450
42 29.81 298
43 58.89 589
53 1.21 12
55 6.01 60
56 45.71 457
57 99.99 999
58 4.67 47
70 1.34 13
71 8.22 82
86 19.66 197
87 1.35 14
//
system version 2.2.8-SNAPSHOT