MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004521
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004521
RECORD_TITLE: URETHAN; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SEYAMA Y, DEPT. OF PHYSIOL. CHEMISTRY AND NUTRITION, FAC. OF MEDICINE, UNIV. OF TOKYO
LICENSE: CC BY-NC-SA
CH$NAME: URETHAN
CH$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$INSTRUMENT: SHIMADZU QP-1000
AC$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$SPLASH: splash10-01r7-9000000000-ba57e1f4b939a6bb2c1c
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
13 0.04 0
14 0.42 4
15 2.28 23
16 3.16 32
17 5.9 59
18 24.07 241
19 3.14 31
25 0.23 2
26 6.26 63
27 37.35 374
28 19.57 196
29 41.91 419
30 6.55 66
31 46.33 463
32 2.16 22
33 0.16 2
40 0.13 1
41 0.3 3
42 2 20
43 11.76 118
44 99.99 999
45 65.45 655
46 9.29 93
47 0.33 3
48 0.03 0
55 0.05 1
57 0.03 0
59 0.13 1
60 0.12 1
61 7.12 71
62 57.05 571
63 0.88 9
64 0.23 2
71 0.65 7
72 0.06 1
74 8.32 83
75 0.21 2
76 0.04 0
88 0.09 1
89 1.74 17
90 0.75 8
91 0.04 0
//
system version 2.2.8-SNAPSHOT