MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007098
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007098
RECORD_TITLE: METHYL CROTONATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: METHYL CROTONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H8O2
CH$EXACT_MASS: 100.05243
CH$SMILES: CC=CC(=O)OC
CH$IUPAC: InChI=1S/C5H8O2/c1-3-4-5(6)7-2/h3-4H,1-2H3/b4-3+
CH$LINK: CAS
623-43-8
CH$LINK: INCHIKEY
MCVVUJPXSBQTRZ-ONEGZZNKSA-N
CH$LINK: COMPTOX
DTXSID10878813
AC$INSTRUMENT: HITACHI M-80B
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: splash10-014r-9000000000-3ce10c58a2f5f2b26b75
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
15 9.78 98
26 1.73 17
27 3.27 33
29 6.17 62
37 2.43 24
38 6.89 69
39 40.21 402
40 2.83 28
41 47.02 470
42 2.65 27
53 1.1 11
59 5.35 54
68 2.47 25
69 99.99 999
70 4.9 49
85 21.93 219
100 15.56 156
//