MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009412
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009412
RECORD_TITLE: PENTANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: PENTANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H12
CH$EXACT_MASS: 72.09390
CH$SMILES: CCCCC
CH$IUPAC: InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3
CH$LINK: INCHIKEY
OFBQJSOFQDEBGM-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2025846
AC$INSTRUMENT: HITACHI M-80A
AC$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$SPLASH: splash10-0006-9000000000-9f4d0bc46cbebba40720
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
14 1.25 13
15 4.16 42
26 3.1 31
27 30.44 304
29 21.08 211
38 1.59 16
39 16.11 161
40 2.65 27
41 47.86 479
42 59.35 594
43 99.99 999
44 3.4 34
53 1.31 13
55 3.55 36
56 3 30
57 15.49 155
71 1.45 15
72 11.45 115
//
system version 2.2.8-SNAPSHOT