MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010755
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010755
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$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0006-9000000000-959204d9c92e9a8c6294
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
15 1.8 18
26 2.4 24
27 26.5 265
28 0.41 4
29 36.5 365
30 1.2 12
38 1.8 18
39 1.71 17
40 2.4 24
41 70.6 706
42 88.2 882
43 99.99 999
44 3.5 35
50 1.2 12
51 1.2 12
53 0.24 2
55 5.3 53
56 20 200
57 58.2 582
58 0.29 3
71 2.4 24
72 8.8 88
//