MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009502
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009502
RECORD_TITLE: URETHANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NARA WOMEN'S UNIVERSITY
LICENSE: CC BY-NC-SA
CH$NAME: URETHANE
CH$NAME: ETHYL CARBAMATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C3H7NO2
CH$EXACT_MASS: 89.04768
CH$SMILES: CCOC(N)=O
CH$IUPAC: InChI=1S/C3H7NO2/c1-2-6-3(4)5/h2H2,1H3,(H2,4,5)
CH$LINK: CAS
51-79-6
CH$LINK: INCHIKEY
JOYRKODLDBILNP-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9021427
AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-01r7-9000000000-4905daa85aa870eff5d7
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
14 2.09 21
15 8.3 83
16 7.55 76
17 7.59 76
18 23.24 232
19 2.53 25
26 7.56 76
27 34.84 348
28 13.02 130
29 30.39 304
30 4.93 49
31 30.47 305
32 1.53 15
42 2.72 27
43 12.77 128
44 99.99 999
45 61.51 615
46 7.34 73
61 6.17 62
62 79.69 797
63 1.14 11
71 1.01 10
74 14.25 143
89 5.57 56
90 7.21 72
//
system version 2.2.8-SNAPSHOT