MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006459
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006459
RECORD_TITLE: ALLYL FORMATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: ALLYL FORMATE
CH$NAME: 2-PROPENYL FORMATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C4H6O2
CH$EXACT_MASS: 86.03678
CH$SMILES: C=CCOC=O
CH$IUPAC: InChI=1S/C4H6O2/c1-2-3-6-4-5/h2,4H,1,3H2
CH$LINK: INCHIKEY
ZHHZHHSFKCANOC-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4062016
AC$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: splash10-0a4i-9000000000-939843670706d3263837
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
15 1.26 13
26 5.65 57
27 15.41 154
28 7.46 75
29 32.46 325
30 7.82 78
31 18.75 188
37 3.28 33
38 7.99 80
39 50.85 509
40 17.46 175
41 22.92 229
42 1.34 13
43 3.22 32
44 1.21 12
47 2.52 25
55 2.75 28
57 99.99 999
58 26.08 261
59 1.12 11
//