MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002924
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002924
RECORD_TITLE: DIMETHYL OXOMALONATE OXIME; 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$NAME: DIMETHYL OXOMALONATE OXIME
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H7NO5
CH$EXACT_MASS: 161.03242
CH$SMILES: COC(=O)C(=NO)C(=O)OC
CH$IUPAC: InChI=1S/C5H7NO5/c1-10-4(7)3(6-9)5(8)11-2/h9H,1-2H3
CH$LINK: INCHIKEY
GLFGXQYUPFIXJV-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID10423246
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: splash10-0690-9300000000-81fc9306c86ee7d2425b
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
15 99.99 999
27 10.11 101
28 6.53 65
29 14.43 144
30 8.35 84
31 14.93 149
41 3.81 38
42 6.17 62
43 2.21 22
44 9.55 96
45 6.64 66
54 18.18 182
59 57.07 571
69 2.48 25
70 6.45 65
86 3.04 30
101 8.02 80
102 13.74 137
129 74.25 743
130 10.06 101
161 8.13 81
//
system version 2.2.6-SNAPSHOT