RECORD_TITLE: MZ:116.0708 | RT:47.8 | grpid:12 | file:1 | adduct:[M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 116.070816040039
AC$CHROMATOGRAPHY: RETENTION_TIME 47.814411
MS$FOCUSED_ION: PRECURSOR_TYPE: [M+H]+
XCMS groupid (grpid): 12
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 1
PK$PEAK: m/z int. rel.int.
116.070892333984	100876.1328125	100

RECORD_TITLE: MZ:116.0708 | RT:47.8 | grpid:12 | file:1 | adduct:[M+Na]+
MS$FOCUSED_ION: PRECURSOR_M/Z 116.070816040039
AC$CHROMATOGRAPHY: RETENTION_TIME 47.814411
MS$FOCUSED_ION: PRECURSOR_TYPE: [M+Na]+
XCMS groupid (grpid): 12
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 1
PK$PEAK: m/z int. rel.int.
116.070892333984	100876.1328125	100

RECORD_TITLE: MZ:116.0708 | RT:47.8 | grpid:12 | file:1 | adduct:[M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 116.070785522461
AC$CHROMATOGRAPHY: RETENTION_TIME 47.814411
MS$FOCUSED_ION: PRECURSOR_TYPE: [M+H]+
XCMS groupid (grpid): 12
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 1
PK$PEAK: m/z int. rel.int.
116.070899963379	165623.640625	100

RECORD_TITLE: MZ:116.0708 | RT:47.8 | grpid:12 | file:1 | adduct:[M+Na]+
MS$FOCUSED_ION: PRECURSOR_M/Z 116.070785522461
AC$CHROMATOGRAPHY: RETENTION_TIME 47.814411
MS$FOCUSED_ION: PRECURSOR_TYPE: [M+Na]+
XCMS groupid (grpid): 12
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 1
PK$PEAK: m/z int. rel.int.
116.070899963379	165623.640625	100

RECORD_TITLE: MZ:116.0708 | RT:47.7 | grpid:12 | file:2 | adduct:[M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 116.070838928223
AC$CHROMATOGRAPHY: RETENTION_TIME 47.662548
MS$FOCUSED_ION: PRECURSOR_TYPE: [M+H]+
XCMS groupid (grpid): 12
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 1
PK$PEAK: m/z int. rel.int.
116.070854187012	97631.5859375	100

RECORD_TITLE: MZ:116.0708 | RT:47.7 | grpid:12 | file:2 | adduct:[M+Na]+
MS$FOCUSED_ION: PRECURSOR_M/Z 116.070838928223
AC$CHROMATOGRAPHY: RETENTION_TIME 47.662548
MS$FOCUSED_ION: PRECURSOR_TYPE: [M+Na]+
XCMS groupid (grpid): 12
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 1
PK$PEAK: m/z int. rel.int.
116.070854187012	97631.5859375	100

RECORD_TITLE: MZ:116.0708 | RT:47.7 | grpid:12 | file:2 | adduct:[M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 116.070831298828
AC$CHROMATOGRAPHY: RETENTION_TIME 47.662548
MS$FOCUSED_ION: PRECURSOR_TYPE: [M+H]+
XCMS groupid (grpid): 12
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 1
PK$PEAK: m/z int. rel.int.
116.070899963379	1782171	100

RECORD_TITLE: MZ:116.0708 | RT:47.7 | grpid:12 | file:2 | adduct:[M+Na]+
MS$FOCUSED_ION: PRECURSOR_M/Z 116.070831298828
AC$CHROMATOGRAPHY: RETENTION_TIME 47.662548
MS$FOCUSED_ION: PRECURSOR_TYPE: [M+Na]+
XCMS groupid (grpid): 12
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 1
PK$PEAK: m/z int. rel.int.
116.070899963379	1782171	100

RECORD_TITLE: MZ:116.0708 | RT:47.7 | grpid:12 | file:2 | adduct:[M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 116.070770263672
AC$CHROMATOGRAPHY: RETENTION_TIME 47.662548
MS$FOCUSED_ION: PRECURSOR_TYPE: [M+H]+
XCMS groupid (grpid): 12
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 1
PK$PEAK: m/z int. rel.int.
116.070922851562	149471.265625	100

RECORD_TITLE: MZ:116.0708 | RT:47.7 | grpid:12 | file:2 | adduct:[M+Na]+
MS$FOCUSED_ION: PRECURSOR_M/Z 116.070770263672
AC$CHROMATOGRAPHY: RETENTION_TIME 47.662548
MS$FOCUSED_ION: PRECURSOR_TYPE: [M+Na]+
XCMS groupid (grpid): 12
COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.3 
PK$NUM_PEAK: 1
PK$PEAK: m/z int. rel.int.
116.070922851562	149471.265625	100

