ACCESSION: MSBNK-RIKEN_ReSpect-PT200250
RECORD_TITLE: 1-Aminocyclopropanecarboxylic acid, 1-Aminocyclopropane-1-carboxylic acid, ACPC, 1-aminocyclopropane-1-carboxylic acid; LC-ESI-QTOF; MS2
DATE: 2008.07.28
AUTHORS: Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
LICENSE: CC BY-NC
COPYRIGHT: Copyright(C) 2009 Plant Science Center, RIKEN
COMMENT: Build 1 2009/06/24
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: 1-Aminocyclopropanecarboxylic acid
CH$NAME: 1-Aminocyclopropane-1-carboxylic acid
CH$NAME: ACPC
CH$NAME: 1-aminocyclopropane-1-carboxylic acid
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Carboxylic acid CLASS3 Cyclopropanecarboxylic acid
CH$FORMULA: C₄H₇NO₂
CH$EXACT_MASS: 101.105
CH$SMILES: C1CC1(C(=O)O)N
CH$IUPAC: InChI=1S/C4H7NO2/c5-4(1-2-4)3(6)7/h1-2,5H2,(H,6,7)
CH$LINK: CAS 22059-21-8
CH$LINK: INCHIKEY PAJPWUMXBYXFCZ-UHFFFAOYSA-N

AC$INSTRUMENT: Q-Tof Premier, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 5-45 V
AC$MASS_SPECTROMETRY: CAPILLARY_VOLTAGE 3.0 kV
AC$CHROMATOGRAPHY: SOLVENT CH3CN/H2O

MS$FOCUSED_ION: ION_TYPE [M-H]-
MS$FOCUSED_ION: PRECURSOR_M/Z 100.03988

PK$SPLASH: splash10-0udi-1900000000-a1d7dde23e88cd41768a
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
99.9251 4.714 131
100.0399 36.04 999
//