MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005851
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005851
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$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-004i-9000000000-cfb1e2ef0bcb3a4e9db4
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
25 1.28 13
26 13.01 130
27 20.41 204
28 99.99 999
29 17.09 171
30 3.57 36
31 7.91 79
37 1.02 10
38 1.28 13
39 1.53 15
57 6.12 61
58 47.96 480
59 1.79 18
//
system version 2.2.6-SNAPSHOT