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MassBank Record: OUF00314

L-(+)-Lactic acid; GC-EI-TOF; MS; n TMS; RT:286.799 sec

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: OUF00314
RECORD_TITLE: L-(+)-Lactic acid; GC-EI-TOF; MS; n TMS; RT:286.799 sec
DATE: 2016.01.19 (Created 2010.05.20, modified 2013.04.24)
AUTHORS: Tsujimoto Y, Tsugawa H, Bamba T, Fukusaki E, engineering department, Osaka Univ.
LICENSE: CC BY-SA
COMMENT: The chemical compound was chemically modified with N-methyl-N-trimethylsilyl-trifluoroacetamide (MSTFA) before GC-MS analysis. When it has two or more functional groups, this modification gave a mixture of the TMS derivatives having different number of TMS groups at different functional groups.

CH$NAME: L-(+)-Lactic acid
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C3H6O3
CH$EXACT_MASS: 90.03169
CH$SMILES: [H]C(C)(O)C(O)=O
CH$IUPAC: InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m0/s1
CH$LINK: CAS 79-33-4
CH$LINK: CHEBI 16651 422
CH$LINK: CHEMSPIDER 96860
CH$LINK: KEGG C00186
CH$LINK: PUBCHEM CID:107689
CH$LINK: INCHIKEY JVTAAEKCZFNVCJ-REOHCLBHSA-N
CH$LINK: COMPTOX DTXSID6034689

AC$INSTRUMENT: Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies
AC$INSTRUMENT_TYPE: GC-EI-TOF
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: HELIUM_FLOW 1 ml/min
AC$MASS_SPECTROMETRY: ION_SOURCE_TEMPERATURE 200 C
AC$MASS_SPECTROMETRY: SCAN_RANGE_M/Z 85-500
AC$CHROMATOGRAPHY: COLUMN_NAME CP-SIL 8 CB LOW BLEED/MS
AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 230 C
AC$CHROMATOGRAPHY: OVEN_TEMPERATURE 80 C (Duration 2 min)-330 C (rate: 15 C/min; Duration 6 min)
AC$CHROMATOGRAPHY: RETENTION_INDEX 1050.158
AC$CHROMATOGRAPHY: RETENTION_TIME 286.799 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C

MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (LECO)

PK$SPLASH: splash10-00kb-0900000000-fb59ec16914501aa19ab
PK$NUM_PEAK: 60
PK$PEAK: m/z int. rel.int.
  85 6 6
  86 11 11
  87 46 46
  88 99 99
  89 18 18
  90 1 1
  91 2 2
  92 1 1
  93 1 1
  94 5 5
  95 1 1
  99 4 4
  100 8 8
  101 61 61
  102 40 40
  103 32 32
  104 5 5
  105 12 12
  106 1 1
  107 1 1
  113 3 3
  115 24 24
  116 17 17
  117 933 933
  118 102 102
  119 49 49
  120 4 4
  121 1 1
  129 20 20
  130 32 32
  131 61 61
  132 12 12
  133 107 107
  134 15 15
  135 9 9
  136 1 1
  143 1 1
  144 1 1
  145 2 2
  146 1 1
  147 999 999
  148 161 161
  149 86 86
  150 9 9
  151 2 2
  174 30 30
  175 11 11
  176 3 3
  177 1 1
  189 6 6
  190 127 127
  191 164 164
  192 45 45
  193 15 15
  194 3 3
  203 6 6
  204 1 1
  219 59 59
  220 12 12
  221 5 5
//

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