MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002929
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002929
RECORD_TITLE: METHYL CYANOFORMATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
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$LINK: INCHIKEY
OBWFJXLKRAFEDI-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1066235
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0ufr-9000000000-2788de417fa3b894c0bb
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
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
41 38.61 386
42 2.7 27
44 5.39 54
45 28.15 282
54 99.99 999
55 11.37 114
59 20.88 209
84 9.26 93
//