MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011908
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011908
RECORD_TITLE: GLYCOLIC ACID; 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$NAME: GLYCOLIC ACID
CH$NAME: HYDROXYACETIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C2H4O3
CH$EXACT_MASS: 76.01604
CH$SMILES: OCC(O)=O
CH$IUPAC: InChI=1S/C2H4O3/c3-1-2(4)5/h3H,1H2,(H,4,5)
CH$LINK: CAS
79-14-1
CH$LINK: NIKKAJI
J1.494J
CH$LINK: INCHIKEY
AEMRFAOFKBGASW-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0025363
AC$INSTRUMENT: HITACHI M-2500
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: splash10-001i-9000000000-cadf899be6b15d008330
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
14 1.33 13
18 1.1 11
19 3.05 31
28 3.09 31
29 26.11 261
30 5.59 56
31 99.99 999
32 33.88 339
42 2.11 21
44 1.8 18
45 14.09 141
46 1.46 15
47 1.83 18
49 2.59 26
77 1.01 10
//
system version 2.2.6-SNAPSHOT