MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005856
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005856
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$SPLASH: splash10-0006-9000000000-64d36d01200dca2ea8e0
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
15 1.86 19
26 2.33 23
27 29.07 291
28 4.19 42
29 38.14 381
30 1.16 12
38 1.86 19
39 17.91 179
40 3.02 30
41 67.44 674
42 90.83 908
43 99.99 999
44 3.49 35
51 1.4 14
52 1.86 19
54 2.33 23
56 5.35 54
57 20.93 209
58 62.09 621
59 3.02 30
71 2.56 26
72 10.7 107
//