MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005890
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005890
RECORD_TITLE: TRIMETHYLENE OXIDE; 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$NAME: TRIMETHYLENE OXIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C3H6O
CH$EXACT_MASS: 58.04186
CH$SMILES: C(C1)CO1
CH$IUPAC: InChI=1S/C3H6O/c1-2-4-3-1/h1-3H2
CH$LINK: INCHIKEY
AHHWIHXENZJRFG-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8025969
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$SPLASH: splash10-056r-9000000000-4c145b8465fabd0e041b
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
26 5.61 56
27 8.88 89
28 99.99 999
29 13.55 136
30 7.48 75
31 6.54 65
57 11.21 112
58 63.55 636
59 2.8 28
//