MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008248
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008248
RECORD_TITLE: METHYL CYANOFORMATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UBE SCIENTIFIC ANALYSIS LABORATORY
LICENSE: CC BY-NC-SA
CH$NAME: METHYL CYANOFORMATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C3H3NO2
CH$EXACT_MASS: 85.01638
CH$SMILES: N#CC(=O)OC
CH$IUPAC: InChI=1S/C3H3NO2/c1-6-3(5)2-4/h1H3
CH$LINK: CAS
17640-15-2
CH$LINK: INCHIKEY
OBWFJXLKRAFEDI-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1066235
AC$INSTRUMENT: HITACHI M-60
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: splash10-0ufr-9000000000-76ad646589847d480771
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
12 1.59 16
13 1.34 13
14 6.13 61
15 36.06 361
26 10.35 104
27 7.01 70
28 12.91 129
29 30.25 303
30 5.06 51
31 47.95 480
40 1.75 18
41 38.61 386
42 2.7 27
44 5.39 54
45 28.15 282
54 99.99 999
55 11.37 114
56 1.43 14
57 0.64 6
59 20.88 209
84 9.26 93
85 0.54 5
//