MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010598
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010598
RECORD_TITLE: PROPYL LACTATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: PROPYL LACTATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H12O3
CH$EXACT_MASS: 132.07864
CH$SMILES: CCCOC(=O)C(C)O
CH$IUPAC: InChI=1S/C6H12O3/c1-3-4-9-6(8)5(2)7/h5,7H,3-4H2,1-2H3
CH$LINK: INCHIKEY
ILVGAIQLOCKNQA-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3049334
AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0002-9000000000-bd5a5d7c84430e160127
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
15 1.9 19
26 1.2 12
27 11.1 111
28 0.23 2
29 3.5 35
31 6.2 62
39 2.1 21
41 0.93 9
42 2.5 25
43 27.3 273
44 1.4 14
45 99.99 999
46 2.3 23
56 1.6 16
59 2.8 28
75 0.46 5
89 1.2 12
132 0.5 5
//