MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009397
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009397
RECORD_TITLE: METHYL LACTATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: METHYL LACTATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C4H8O3
CH$EXACT_MASS: 104.04734
CH$SMILES: COC(=O)C(C)O
CH$IUPAC: InChI=1S/C4H8O3/c1-3(5)4(6)7-2/h3,5H,1-2H3
CH$LINK: INCHIKEY
LPEKGGXMPWTOCB-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0027197
AC$INSTRUMENT: HITACHI M-80A
AC$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$SPLASH: splash10-0002-9000000000-3061a851e855572fc251
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
15 11.73 117
19 4.23 42
26 2.02 20
27 9.25 93
29 14.42 144
30 2.38 24
31 2.48 25
33 17.18 172
42 2.18 22
43 13.78 138
44 2.32 23
45 99.99 999
46 2.29 23
55 1.02 10
59 2.93 29
61 3.29 33
//