MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010774
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010774
RECORD_TITLE: ISOPENTANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: ISOPENTANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H12
CH$EXACT_MASS: 72.09390
CH$SMILES: CCC(C)C
CH$IUPAC: InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3
CH$LINK: INCHIKEY
QWTDNUCVQCZILF-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8025468
AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0006-9000000000-d3dc8b17ffc6e356daa9
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
27 4.7 47
28 1 10
29 20.8 208
41 4.17 42
42 99 990
43 99.99 999
44 3.7 37
55 0.36 4
56 22.3 223
57 65.1 651
58 3.1 31
71 0.31 3
72 8.9 89
//